3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile

C8H11F4NO — CID 43368186

IUPAC3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
SMILESCCC(CC#N)OCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7H,2-3,5H2,1H3
InChIKeyGXLIQXTVZHCBCT-UHFFFAOYSA-N
MW213.17 g/mol
LogP2.60
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile

3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile (PubChem CID 43368186) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
PubChem CID43368186
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
SMILESCCC(CC#N)OCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7H,2-3,5H2,1H3
InChIKeyGXLIQXTVZHCBCT-UHFFFAOYSA-N
XLogP2.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile (CID 43368186) is 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile is CCC(CC#N)OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile?
The InChIKey is GXLIQXTVZHCBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7H,2-3,5H2,1H3.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile?
3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile has a molecular weight of 213.17 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile is sourced from PubChem (CID 43368186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).